methyl 6-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(2-chlorobenzoyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H26ClN3O3S MolecularWeight: 411.94604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H26ClN3O3S/c1-26-17(24)9-3-2-6-10-21-19(27)23-13-11-22(12-14-23)18(25)15-7-4-5-8-16(15)20/h4-5,7-8H,2-3,6,9-14H2,1H3,(H,21,27)